4-azido-2-nitro-N-propan-2-yl-aniline triphosphate

Systemtic Name: 4-azido-2-nitro-N-propan-2-yl-aniline triphosphate Openeye Name: 4-azido-N-isopropyl-2-nitro-aniline triphosphate CAS Name: 4-azido-2-nitro-N-propan-2-ylaniline triphosphate IUPAC Name: 4-azido-2-nitro-N-propan-2-ylaniline triphosphate Traditional Name: (4-azido-2-nitro-phenyl)-isopropyl-amine triphosphate Formula: C9H11N5O14P3-9 MolecularWeight: 506.130023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C9H11N5O2.3H3O4P/c1-6(2)11-8-4-3-7(12-13-10)5-9(8)14(15)16;3*1-5(2,3)4/h3-6,11H,1-2H3;3*(H3,1,2,3,4)/p-9